ethyl 5-[3-(3-chlorophenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(3-chlorophenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(3-chlorophenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(3-chlorophenyl)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(3-chlorophenyl)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-(3-chlorophenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC(=CC=C2)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC(=CC=C2)Cl)C#N)C

InChI

InChI=1S/C18H17ClN2O3S/c1-3-24-18(23)16-11(2)14(10-20)17(25-16)21-15(22)8-7-12-5-4-6-13(19)9-12/h4-6,9H,3,7-8H2,1-2H3,(H,21,22)